Geometry & MOs

Info

ID:

237116

PubChem CID:

92717471

Reduced:

N3O4C28H29 (1)

Stoich.:

A3B4C28D29 (1)

Weight, g/mol:

459.179421

ΔHf, kcal/mol:

-96.83

Dipole, Da:

6.43

IP(EA), eV:

 -8.37(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13S)-13-(1,3-benzodioxol-5-yl)-3,5,10,10-tetramethyl-8-phenyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione

Drug info:

PubChemData

Smile

CC1(CO[C@@H](C2=C3C(=C(N21)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C5=CC=CC(=C5O)CC=C)C

DOS

IR

Vibrations